SCHEMBL28021486

SCHEMBL28021486

CC(C)N(F)S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.61
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HTR6 P50406 1/20 0.42
CCR5 P51681 1/20 0.42
NR1I2 O75469 1/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7022399 0.77 APOBEC3G (0.67) APOBEC3GTDP1ALDH1A1HSD17B10HSD11B1
SCHEMBL4613713 0.77 APOBEC3G (0.54) APOBEC3GTDP1ALDH1A1ESR1HSD11B1
SCHEMBL5533428 0.77 APOBEC3G (0.73) APOBEC3GTDP1ALDH1A1ESR1HSD17B10
SCHEMBL121410 0.77 APOBEC3G (1.00) APOBEC3GTDP1ALDH1A1ESR1HSD17B10
SCHEMBL4569289 0.76 ADAMTS4 (0.53) APOBEC3GTDP1ALDH1A1ESR1HSD11B1
Hydrochloric Acid SCHEMBL28541249 0.76 APOBEC3G (0.52) APOBEC3GTDP1ALDH1A1ESR1HSD11B1
SCHEMBL3283058 0.74 APOBEC3G (0.50) APOBEC3GTDP1ESR1HSD11B1KMT2A
SCHEMBL27378456 0.74 APOBEC3G (0.50) APOBEC3GTDP1ALDH1A1ESR1HSD11B1
SCHEMBL5284140 0.74 APOBEC3G (0.50) APOBEC3GTDP1ALDH1A1ESR1HSD11B1
SCHEMBL27953448 0.74 APOBEC3G (0.50) APOBEC3GTDP1ALDH1A1ESR1HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104797561-A fused bicyclic Sulfamoyl derivatives and their use as medicaments for the treatment of hepatitis B JANSSEN R & AMP 2015-07-22 CN disclosed